N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C17H26BrClN2O2 — CID 120916214

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCOc1ccc(Br)cc1CNC1CCCC1C1COCCN1.Cl
InChIInChI=1S/C17H25BrN2O2.ClH/c1-21-17-6-5-13(18)9-12(17)10-20-15-4-2-3-14(15)16-11-22-8-7-19-16;/h5-6,9,14-16,19-20H,2-4,7-8,10-11H2,1H3;1H
InChIKeyFXYMPDFGXCQWCY-UHFFFAOYSA-N
MW405.76 g/mol
LogP3.13
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120916214) has the molecular formula C17H26BrClN2O2 and a molecular weight of 405.76 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120916214
Molecular FormulaC17H26BrClN2O2
Molecular Weight405.76 g/mol
Exact Mass404.09
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCOc1ccc(Br)cc1CNC1CCCC1C1COCCN1.Cl
InChIInChI=1S/C17H25BrN2O2.ClH/c1-21-17-6-5-13(18)9-12(17)10-20-15-4-2-3-14(15)16-11-22-8-7-19-16;/h5-6,9,14-16,19-20H,2-4,7-8,10-11H2,1H3;1H
InChIKeyFXYMPDFGXCQWCY-UHFFFAOYSA-N
XLogP3.13
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.76
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914820
N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914428
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915043
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915014
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915500
N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914924
2-morpholin-3-yl-N-[(2-propan-2-yloxyphenyl)methyl]cyclopentan-1-amine
CID 120914019
N-[[4-(2-methoxyphenoxy)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915889
N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
CID 63360472
N-[[3-(methoxymethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915585
N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913901
N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238006

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120916214) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is COc1ccc(Br)cc1CNC1CCCC1C1COCCN1.Cl.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is FXYMPDFGXCQWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2.ClH/c1-21-17-6-5-13(18)9-12(17)10-20-15-4-2-3-14(15)16-11-22-8-7-19-16;/h5-6,9,14-16,19-20H,2-4,7-8,10-11H2,1H3;1H.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 405.76 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120916214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).